SCHEMBL694936

SCHEMBL694936

COC(=O)[C@@H]1C[C@@H](S(C)(=O)=O)CN1c1cc(C)nn1-c1ccnc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CHRM1 P11229 1/20 0.32
CHRM4 P08173 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
CCR2 P41597 1/20 0.31
SMARCA2 P51531 1/20 0.31
SMARCA4 P51532 1/20 0.31
MMP2 P08253 2/20 0.30
ANPEP P15144 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
KDM5A P29375 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
KDM5B Q9UGL1 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL694938 1.00 CTSS (0.35) CTSSSMN1; SMN2CHRM1CHRM4ADORA2A
SCHEMBL694937 1.00 CTSS (0.35) CTSSSMN1; SMN2CHRM1CHRM4ADORA2A
SCHEMBL695912 0.90 CHRM1 (0.33) CTSSCHRM1CHRM4SMARCA2SMARCA4
SCHEMBL695913 0.90 CHRM1 (0.33) CTSSCHRM1CHRM4SMARCA2SMARCA4
SCHEMBL695198 0.89 CTSS (0.39) CTSSMMP2ANPEP
SCHEMBL2106619 0.89 CTSS (0.39) CTSSMMP2ANPEP
SCHEMBL696812 0.88 SMO (0.35) CTSSSMN1; SMN2CHRM1ADORA2AADORA1
SCHEMBL696814 0.88 SMO (0.35) CTSSSMN1; SMN2CHRM1ADORA2AADORA1
SCHEMBL694847 0.88 CTSS (0.49) CTSSCHRM1
SCHEMBL2104296 0.88 CTSS (0.49) CTSSCHRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 CTSS 1542/4885SMN1; SMN2 3026/4885CHRM1 2935/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.